1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea

C14H22N4O2 — CID 121121011

IUPAC1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1ncn(CCNC(=O)NC2CCCC2)c(=O)c1C
InChIInChI=1S/C14H22N4O2/c1-10-11(2)16-9-18(13(10)19)8-7-15-14(20)17-12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H2,15,17,20)
InChIKeyZOMJTASSNWUFJY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.10
Rot. Bonds4

About 1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea

1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea (PubChem CID 121121011) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
PubChem CID121121011
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
SMILESCc1ncn(CCNC(=O)NC2CCCC2)c(=O)c1C
InChIInChI=1S/C14H22N4O2/c1-10-11(2)16-9-18(13(10)19)8-7-15-14(20)17-12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H2,15,17,20)
InChIKeyZOMJTASSNWUFJY-UHFFFAOYSA-N
XLogP1.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
1-(4-chlorophenyl)-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea
CID 121120963
1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
CID 110747697
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121120955
1-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 71795211
4-tert-butyl-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120830
4-chloro-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121120714
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121120827
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]naphthalene-2-carboxamide
CID 121120660
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 121120854

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea (CID 121121011) is 1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea is Cc1ncn(CCNC(=O)NC2CCCC2)c(=O)c1C.
What is the InChIKey of 1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
The InChIKey is ZOMJTASSNWUFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-11(2)16-9-18(13(10)19)8-7-15-14(20)17-12-5-3-4-6-12/h9,12H,3-8H2,1-2H3,(H2,15,17,20).
What are the key properties of 1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea?
1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea has a molecular weight of 278.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]urea is sourced from PubChem (CID 121121011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).